3-[3-(4-methylphenyl)carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: 3-[3-(4-methylphenyl)carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]-N-[(4-methylphenyl)methyl]propanamide Openeye Name: 3-[3-(4-methylbenzoyl)-1-oxido-indazol-1-ium-2-yl]-N-(p-tolylmethyl)propanamide CAS Name: N-[(4-methylphenyl)methyl]-3-[3-[(4-methylphenyl)-oxomethyl]-1-oxido-2-indazol-1-iumyl]propanamide IUPAC Name: 3-[3-(4-methylbenzoyl)-1-oxidoindazol-1-ium-2-yl]-N-[(4-methylphenyl)methyl]propanamide Traditional Name: N-(4-methylbenzyl)-3-(1-oxido-3-p-toluoyl-indazol-1-ium-2-yl)propionamide Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CCN2C(=C3C=CC=CC3=[N+]2[O-])C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CCN2C(=C3C=CC=CC3=[N+]2[O-])C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H25N3O3/c1-18-7-11-20(12-8-18)17-27-24(30)15-16-28-25(22-5-3-4-6-23(22)29(28)32)26(31)21-13-9-19(2)10-14-21/h3-14H,15-17H2,1-2H3,(H,27,30)